SCHEMBL8534618

SCHEMBL8534618

OCC1CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.46
OPRK1 P41145 10/20 0.46
OPRL1 P41146 10/20 0.46
OPRD1 P41143 9/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNA3 P22001 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11268886 0.98 OPRM1 (0.44) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL24359355 0.90 KMT2A (0.46) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL3451288 0.90 KMT2A (0.46) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL9682023 0.86 ALDH1A1 (0.47) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL9683882 0.83 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1KMT2A
SCHEMBL8534954 0.83 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1KMT2A
SCHEMBL9684251 0.81 ALDH1A1 (0.44) OPRM1OPRK1OPRL1OPRD1KMT2A
SCHEMBL11415783 0.81 MEN1 (0.44) OPRM1OPRK1OPRL1OPRD1MEN1
SCHEMBL27402701 0.79 MEN1 (0.51) OPRM1OPRD1MEN1KMT2A
SCHEMBL25665529 0.79 SLC6A9 (0.46) OPRM1OPRK1OPRL1OPRD1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817651-A ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS SANOFI (FR) 1998-10-06 US disclosed
US-5607933-A METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL STERLING WINTHROP INC. (US) 1997-03-04 US disclosed
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US disclosed
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed
US-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US disclosed
EP-0444451-A2 3-Arylcarbonyl-1H-indoles useful as therapeutic agents STERLING WINTHROP INC. (US) 1991-09-04 EP disclosed
EP-0114706-B1 2-ACETIDINYLACETIC ACID,ITS PREPARATION,COMPOSITIONS CONTAINING IT,AND METHOD OF STERILISING THE ANTHERS OF A PLANT SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-09 EP disclosed
US-4620866-A POLLEN STERILIZATION OF WHEAT PLANTS SHELL OIL COMPANY (US) 1986-11-04 US disclosed
EP-0114706-A1 2-Acetidinylacetic acid,its preparation,compositions containing it,and method of sterilising the anthers of a plant SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-08-01 EP disclosed
US-4200628-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-04-29 US disclosed
EP-0001643-A2 Aminoglycoside derivatives, process for their manufacture, pharmaceutical compositions and carboxylic acids SHIONOGI & CO., LTD. (JP) 1979-05-02 EP disclosed